N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(4-propan-2-ylphenyl)methanimine

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(4-propan-2-ylphenyl)methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-isopropylphenyl)methanimine CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-(4-propan-2-ylphenyl)methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(4-isopropylbenzylidene)amine Formula: C20H22N4S MolecularWeight: 350.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1/N=C/C2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4S/c1-15(2)19-11-9-17(10-12-19)13-21-24-16(3)22-23-20(24)25-14-18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3/b21-13+